SCHEMBL20512002

SCHEMBL20512002

O=C(ON1CC(C(F)c2cc(F)cc(F)c2F)C1)C(=O)ON1CC(C(F)c2cc(F)cc(F)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.32
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20164083 0.85 CES2 (0.31) CES2CES1
SCHEMBL20512001 0.84 CES2 (0.39) CES2CES1DPP4DPP7
SCHEMBL20164093 0.83 CES2 (0.40) CES2CES1
SCHEMBL20511998 0.82 CA1 (0.30)
SCHEMBL20164098 0.82 CES2 (0.36) CES2CES1
SCHEMBL18249655 0.81 CES2 (0.41) CES2CES1TRPM8DPP4FAP
SCHEMBL20164104 0.80 CES2 (0.38) CES2CES1
SCHEMBL18249648 0.79 CES2 (0.36) CES2CES1TRPM8
SCHEMBL18249594 0.77 DPP4 (0.42) CES2CES1DPP4
Oxalic Acid SCHEMBL18249573 0.76 CES2 (0.37) CES2CES1TRPM8DPP4FAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES (SE) 2018-10-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 CES2 161/4885CES1 2089/4885TRPM8 2746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.